propan-2-yl 5-methyl-2-[[2-methylpropyl-(2-oxidanyl-3-prop-2-enoxy-propyl)amino]methyl]-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: propan-2-yl 5-methyl-2-[[2-methylpropyl-(2-oxidanyl-3-prop-2-enoxy-propyl)amino]methyl]-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: isopropyl 2-[[(3-allyloxy-2-hydroxy-propyl)-isobutyl-amino]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[[(2-hydroxy-3-prop-2-enoxypropyl)-(2-methylpropyl)amino]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[[(2-hydroxy-3-prop-2-enoxypropyl)-(2-methylpropyl)amino]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[[(3-allyloxy-2-hydroxy-propyl)-isobutyl-amino]methyl]-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid isopropyl ester Formula: C22H33N3O5S MolecularWeight: 451.57952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)CN(CC(C)C)CC(COCC=C)O)C(=O)OC(C)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)CN(CC(C)C)CC(COCC=C)O)C(=O)OC(C)C

InChI

InChI=1S/C22H33N3O5S/c1-7-8-29-12-16(26)10-25(9-13(2)3)11-17-23-20(27)18-15(6)19(31-21(18)24-17)22(28)30-14(4)5/h7,13-14,16,26H,1,8-12H2,2-6H3,(H,23,24,27)